![Methyl 3-[4'-methyl-3-(cyclohexen-1'-yl)]propynoate](/api/spectrum/8iRpdyrqRDC/structure.png?h=300&w=458 "Methyl 3-[4'-methyl-3-(cyclohexen-1'-yl)]propynoate")
| SpectraBase Compound ID | BicSMONdCFS |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3,10H,4-6H2,1-2H3 |
| InChIKey | RZDSUFFHDQLNKF-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8iRpdyrqRDC |
|---|---|
| Name | Methyl 3-[4'-methyl-3-(cyclohexen-1'-yl)]propynoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3,10H,4-6H2,1-2H3 |
| InChIKey | RZDSUFFHDQLNKF-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(#CC1CC=C(CC1)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930135 |